3-[3-(2-methylprop-1-enoxy)propyl]thietane

C10H18OS — CID 176604248

IUPAC3-[3-(2-methylprop-1-enoxy)propyl]thietane
SMILESCC(C)=COCCCC1CSC1
InChIInChI=1S/C10H18OS/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyPKMLGEBXOAJOIL-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds5

About 3-[3-(2-methylprop-1-enoxy)propyl]thietane

3-[3-(2-methylprop-1-enoxy)propyl]thietane (PubChem CID 176604248) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-[3-(2-methylprop-1-enoxy)propyl]thietane.

Molecular Properties

Compound Name3-[3-(2-methylprop-1-enoxy)propyl]thietane
PubChem CID176604248
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-[3-(2-methylprop-1-enoxy)propyl]thietane
SMILESCC(C)=COCCCC1CSC1
InChIInChI=1S/C10H18OS/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3
InChIKeyPKMLGEBXOAJOIL-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1,1-dioxide
CID 176602924
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
3-[3-[(E)-prop-1-enoxy]propyl]thietane 1-oxide
CID 176603685
3-[3-[(E)-prop-1-enoxy]propyl]thietane
CID 176603734
3-(2-Methylprop-1-enoxymethyl)thiane
CID 176603834
3-[1-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176603944
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176604158
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thietane
CID 176604319
3-Ethyl-3-(2-methylprop-1-enoxymethyl)thietane
CID 176604508
3-[3-(Cyclopentylidenemethoxy)propyl]thietane
CID 176604780
3-[2-(2-Methylprop-1-enoxy)ethyl]thietane
CID 176604878
3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1-oxide
CID 176604991

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]thietane?
The IUPAC name of 3-[3-(2-methylprop-1-enoxy)propyl]thietane (CID 176604248) is 3-[3-(2-methylprop-1-enoxy)propyl]thietane.
What is the SMILES notation for 3-[3-(2-methylprop-1-enoxy)propyl]thietane?
The canonical SMILES for 3-[3-(2-methylprop-1-enoxy)propyl]thietane is CC(C)=COCCCC1CSC1.
What is the InChIKey of 3-[3-(2-methylprop-1-enoxy)propyl]thietane?
The InChIKey is PKMLGEBXOAJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(2)6-11-5-3-4-10-7-12-8-10/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[3-(2-methylprop-1-enoxy)propyl]thietane?
3-[3-(2-methylprop-1-enoxy)propyl]thietane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylprop-1-enoxy)propyl]thietane is sourced from PubChem (CID 176604248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).